2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide

C19H19N3OS — CID 3546065

IUPAC2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1Nc1nc(C(=O)NC(C)c2ccccc2)cs1
InChIInChI=1S/C19H19N3OS/c1-13-8-6-7-11-16(13)21-19-22-17(12-24-19)18(23)20-14(2)15-9-4-3-5-10-15/h3-12,14H,1-2H3,(H,20,23)(H,21,22)
InChIKeyGKWKXIWPRBRAIK-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide

2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3546065) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID3546065
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1Nc1nc(C(=O)NC(C)c2ccccc2)cs1
InChIInChI=1S/C19H19N3OS/c1-13-8-6-7-11-16(13)21-19-22-17(12-24-19)18(23)20-14(2)15-9-4-3-5-10-15/h3-12,14H,1-2H3,(H,20,23)(H,21,22)
InChIKeyGKWKXIWPRBRAIK-UHFFFAOYSA-N
XLogP4.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46113593
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099186
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2585897
(3S)-3-[[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 89397172

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (CID 3546065) is 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is Cc1ccccc1Nc1nc(C(=O)NC(C)c2ccccc2)cs1.
What is the InChIKey of 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GKWKXIWPRBRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-8-6-7-11-16(13)21-19-22-17(12-24-19)18(23)20-14(2)15-9-4-3-5-10-15/h3-12,14H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3546065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).